Molecular Properties | |
SMILES: | O=C(CB(O)O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 348.136 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 98.15 |
cLogP: | -0.7295 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
boron_warhead
heavy metal
Activated haloaromatics
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Hetero_hetero
AAR-POS-d2a4d1df-32
0.691
MAR-TRE-6a44bbf2-4
0.691
LON-WEI-8f408cad-2
0.691
MAK-UNK-6435e6c2-6
0.630
BEN-DND-03406596-2
0.587
BEN-DND-76ad4ac9-12
0.587
JAG-SYN-9c2cd0bd-1
0.586
JAG-SYN-9c2cd0bd-15
0.586
JAG-SYN-9c2cd0bd-2
0.576
MAK-UNK-10dfa458-27
0.576
JAG-SYN-9c2cd0bd-12
0.548
JAG-SYN-9c2cd0bd-11
0.492
SWA-SYN-d2e6fa14-4
0.481
SWA-SYN-6423ea73-4
0.481
BEN-DND-76ad4ac9-2
0.476
NAU-LAT-64f4b287-1
0.472
MAK-UNK-902cc841-9
0.430
DRR-IMP-dff87f5e-4
0.429
MAK-UNK-902cc841-10
0.420
AAR-POS-d2a4d1df-34
0.397
MAR-TRE-6a44bbf2-8
0.397
DRR-IMP-dff87f5e-5
0.397
MAR-TRE-6a44bbf2-18
0.382
AAR-POS-d2a4d1df-23
0.382
BEN-DND-03406596-10
0.382
LON-WEI-8f408cad-4
0.382
DAN-MCD-50ec7d1f-1
0.382
JOE-SYG-2c9a1216-3
0.367
BEN-DND-03406596-9
0.365
BEN-DND-76ad4ac9-11
0.365
JAG-SYN-9c2cd0bd-10
0.357
MAK-UNK-3f402c2b-9
0.356
KEN-MCD-6084b33e-1
0.356
AAR-POS-d2a4d1df-22
0.353
DRR-IMP-dff87f5e-1
0.353
LON-WEI-8f408cad-3
0.353
MAR-TRE-6a44bbf2-58
0.353
KAY-MCD-d0fe5261-1
0.353
DRR-IMP-db50bf6e-5
0.353
MAR-TRE-6a44bbf2-52
0.353
MAK-UNK-7c9d1431-10
0.352
MAR-TRE-6a44bbf2-32
0.352
ABB-MCD-f8003a30-1
0.352
DRR-IMP-dff87f5e-8
0.352
NIM-UNI-05f93fcc-14
0.351
IND-SYN-6c8299e8-2
0.347
BEN-DND-76ad4ac9-14
0.347
BEN-DND-03406596-3
0.347
PEI-IMP-ca0b2813-3
0.347
NIM-UNI-05f93fcc-3
0.346
JOE-SYG-2c9a1216-1
0.346
MAK-UNK-7c9d1431-9
0.343
MAR-TRE-6a44bbf2-21
0.343
KAT-UNK-b2a0d5b1-1
0.342
NIM-UNI-05f93fcc-11
0.342
DRR-IMP-dff87f5e-3
0.338
AAR-POS-d2a4d1df-44
0.338
MAR-TRE-6a44bbf2-65
0.338
MAK-UNK-7c9d1431-11
0.338
TAT-ENA-80bfd3e5-43
0.338
NIM-UNI-05f93fcc-2
0.338
AAR-POS-0daf6b7e-15
0.333
NIM-UNI-05f93fcc-10
0.333
SAD-SAT-bc31ec01-10
0.333
ZAC-MCD-2bc172dc-1
0.333
SAD-SAT-9a6c5cf3-10
0.329
MAK-UNK-7c9d1431-4
0.329
TAT-ENA-80bfd3e5-25
0.329
MAK-UNK-7c9d1431-12
0.329
NIM-UNI-05f93fcc-1
0.329
SAD-SAT-2fd372d1-1
0.329
JAY-UNK-11f5bdbd-1
0.329
JOE-SYG-2c9a1216-2
0.325
IND-SYN-6c8299e8-7
0.325
MAR-TRE-6a44bbf2-24
0.324
MAK-UNK-6435e6c2-5
0.324
BEN-DND-03406596-8
0.320
MAK-UNK-7c9d1431-6
0.319
DRR-IMP-dff87f5e-6
0.319
PEI-IMP-ca0b2813-1
0.319
NIM-UNI-05f93fcc-15
0.317
BEN-DND-03406596-6
0.316
BEN-DND-76ad4ac9-10
0.316
NIM-UNI-310206f0-69
0.316
BEN-DND-03406596-5
0.316
DRR-IMP-db50bf6e-4
0.316
BEN-DND-76ad4ac9-13
0.316
JAG-SYN-9c2cd0bd-8
0.315
MAT-POS-ee51dedd-2
0.314
AAR-POS-d2a4d1df-27
0.314
MAR-LAB-efb042c5-5
0.314
MAR-TRE-6a44bbf2-68
0.314
DRR-IMP-dff87f5e-7
0.314
PEI-IMP-ca0b2813-2
0.314
SAD-SAT-3a925b8b-2
0.314
MAK-UNK-6435e6c2-1
0.313
JAN-GHE-bf40f168-1
0.313
DRR-IMP-dff87f5e-2
0.312
MAK-UNK-7c9d1431-3
0.312
MAK-UNK-7c9d1431-13
0.310